3-[5-(4-aminocyclohexyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-2H-1,3-thiazol-5-amine

C19H23F2N5S — CID 67456318

IUPAC3-[5-(4-aminocyclohexyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-2H-1,3-thiazol-5-amine
SMILESCn1ncc(N2C=C(N)SC2c2c(F)cccc2F)c1C1CCC(N)CC1
InChIInChI=1S/C19H23F2N5S/c1-25-18(11-5-7-12(22)8-6-11)15(9-24-25)26-10-16(23)27-19(26)17-13(20)3-2-4-14(17)21/h2-4,9-12,19H,5-8,22-23H2,1H3
InChIKeyNQESODVVPULPFY-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.69
Rot. Bonds3

About 3-[5-(4-aminocyclohexyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-2H-1,3-thiazol-5-amine

3-[5-(4-aminocyclohexyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-2H-1,3-thiazol-5-amine (PubChem CID 67456318) has the molecular formula C19H23F2N5S and a molecular weight of 391.49 g/mol. Its IUPAC name is 3-[5-(4-aminocyclohexyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-2H-1,3-thiazol-5-amine.

Molecular Properties

Compound Name3-[5-(4-aminocyclohexyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-2H-1,3-thiazol-5-amine
PubChem CID67456318
Molecular FormulaC19H23F2N5S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name3-[5-(4-aminocyclohexyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-2H-1,3-thiazol-5-amine
SMILESCn1ncc(N2C=C(N)SC2c2c(F)cccc2F)c1C1CCC(N)CC1
InChIInChI=1S/C19H23F2N5S/c1-25-18(11-5-7-12(22)8-6-11)15(9-24-25)26-10-16(23)27-19(26)17-13(20)3-2-4-14(17)21/h2-4,9-12,19H,5-8,22-23H2,1H3
InChIKeyNQESODVVPULPFY-UHFFFAOYSA-N
XLogP3.69
TPSA73.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-aminocyclohexyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-2H-1,3-thiazol-5-amine?
The IUPAC name of 3-[5-(4-aminocyclohexyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-2H-1,3-thiazol-5-amine (CID 67456318) is 3-[5-(4-aminocyclohexyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-2H-1,3-thiazol-5-amine.
What is the SMILES notation for 3-[5-(4-aminocyclohexyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-2H-1,3-thiazol-5-amine?
The canonical SMILES for 3-[5-(4-aminocyclohexyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-2H-1,3-thiazol-5-amine is Cn1ncc(N2C=C(N)SC2c2c(F)cccc2F)c1C1CCC(N)CC1.
What is the InChIKey of 3-[5-(4-aminocyclohexyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-2H-1,3-thiazol-5-amine?
The InChIKey is NQESODVVPULPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N5S/c1-25-18(11-5-7-12(22)8-6-11)15(9-24-25)26-10-16(23)27-19(26)17-13(20)3-2-4-14(17)21/h2-4,9-12,19H,5-8,22-23H2,1H3.
What are the key properties of 3-[5-(4-aminocyclohexyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-2H-1,3-thiazol-5-amine?
3-[5-(4-aminocyclohexyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-2H-1,3-thiazol-5-amine has a molecular weight of 391.49 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-aminocyclohexyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-2H-1,3-thiazol-5-amine is sourced from PubChem (CID 67456318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).